6-amino-2-(propan-2-yl)-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-(propan-2-yl)-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-(propan-2-yl)-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0119 |
| Compound Name: | 6-amino-2-(propan-2-yl)-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C24 H27 N5 |
| Smiles: | [H]C12CN(CC=C2C(C#N)=C(C(C#N)(C#N)C1c1ccc(cc1)C(C)C)N)C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0631 |
| logD: | 4.0627 |
| logSw: | -4.3244 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.153 |
| InChI Key: | AISSSNZXCWFHPV-UHFFFAOYSA-N |